(2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl) methanesulfonate

Systemtic Name: (2-chloranyl-4-fluoranyl-5-isothiocyanato-phenyl) methanesulfonate Openeye Name: (2-chloro-4-fluoro-5-isothiocyanato-phenyl) methanesulfonate CAS Name: methanesulfonic acid (2-chloro-4-fluoro-5-isothiocyanatophenyl) ester IUPAC Name: (2-chloro-4-fluoro-5-isothiocyanatophenyl) methanesulfonate Traditional Name: methanesulfonic acid (2-chloro-4-fluoro-5-isothiocyanato-phenyl) ester Formula: C8H5ClFNO3S2 MolecularWeight: 281.711603

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=C(C=C(C(=C1)N=C=S)F)Cl

Isomeric SMILES

CS(=O)(=O)OC1=C(C=C(C(=C1)N=C=S)F)Cl

InChI

InChI=1S/C8H5ClFNO3S2/c1-16(12,13)14-8-3-7(11-4-15)6(10)2-5(8)9/h2-3H,1H3